1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H22F5N3O3 — CID 147189078

IUPAC1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(OC(F)(F)F)c3)nn2C2C3=C(C[C@H]2O)C(F)=CC(F)C3)C1
InChIInChI=1S/C24H22F5N3O3/c1-12(33)31-6-5-20-18(11-31)22(13-3-2-4-15(7-13)35-24(27,28)29)30-32(20)23-17-8-14(25)9-19(26)16(17)10-21(23)34/h2-4,7,9,14,21,23,34H,5-6,8,10-11H2,1H3/t14?,21-,23?/m1/s1
InChIKeyCBBVFUKOAJHDMU-GPVKKSAQSA-N
MW495.45 g/mol
LogP4.55
Rot. Bonds3

About 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 147189078) has the molecular formula C24H22F5N3O3 and a molecular weight of 495.45 g/mol. Its IUPAC name is 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID147189078
Molecular FormulaC24H22F5N3O3
Molecular Weight495.45 g/mol
Exact Mass495.16
IUPAC Name1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(OC(F)(F)F)c3)nn2C2C3=C(C[C@H]2O)C(F)=CC(F)C3)C1
InChIInChI=1S/C24H22F5N3O3/c1-12(33)31-6-5-20-18(11-31)22(13-3-2-4-15(7-13)35-24(27,28)29)30-32(20)23-17-8-14(25)9-19(26)16(17)10-21(23)34/h2-4,7,9,14,21,23,34H,5-6,8,10-11H2,1H3/t14?,21-,23?/m1/s1
InChIKeyCBBVFUKOAJHDMU-GPVKKSAQSA-N
XLogP4.55
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

4,6-difluoro-2,3-dihydro-1H-inden-2-ol;1-[3-[3-(trifluoromethoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552471
3-[5-acetyl-1-[(1R,2S)-4-bromo-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89444669
3-[5-acetyl-1-(4-chloro-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 78094330
1-[1-(4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 78094410
1-[1-[(1R,2R)-6-chloro-4-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515846
3-[5-acetyl-1-[(1R,2R)-4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 71515783
3-[5-acetyl-1-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89443985
1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 78094407
3-[1-[(1R,2S)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89444450
1-[1-(oxolan-3-yl)-3-[7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376910
4-[[5-acetyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methyl]benzonitrile
CID 71532928
(6R)-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 169222650

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 147189078) is 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc(OC(F)(F)F)c3)nn2C2C3=C(C[C@H]2O)C(F)=CC(F)C3)C1.
What is the InChIKey of 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is CBBVFUKOAJHDMU-GPVKKSAQSA-N. The full InChI is InChI=1S/C24H22F5N3O3/c1-12(33)31-6-5-20-18(11-31)22(13-3-2-4-15(7-13)35-24(27,28)29)30-32(20)23-17-8-14(25)9-19(26)16(17)10-21(23)34/h2-4,7,9,14,21,23,34H,5-6,8,10-11H2,1H3/t14?,21-,23?/m1/s1.
What are the key properties of 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 495.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 147189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).